SCHEMBL9359183

SCHEMBL9359183

N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ GRM4 Q14833 1/20 0.40
▸ EPHX2 P34913 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ SLC7A5 Q01650 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ HTR2A P28223 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8064068 0.81 DPP4 (0.41) EPHX2KMT2APTPN1CA1CA2
SCHEMBL9359175 0.78 ALB (0.48) ALDH1A1EPHX2PTPN1ALBIL2
SCHEMBL29400507 0.78 ALB (0.48) ALDH1A1EPHX2PTPN1ALBIL2
SCHEMBL5062433 0.78 ALB (0.48) ALDH1A1EPHX2PTPN1ALBIL2
SCHEMBL10667754 0.77 ALDH1A1 (0.50) ALDH1A1GRM4MAPTNPSR1SLC7A5
SCHEMBL4131150 0.77 ALDH1A1 (0.52) ALDH1A1GRM4MAPTNPSR1SLC7A5
SCHEMBL18301502 0.76 KMT2A (0.40) EPHX2KMT2APTPN1CA1CA2
SCHEMBL18986722 0.76 EPHX2 (0.42) EPHX2MAPTKMT2ACA1CA2
SCHEMBL27497254 0.75 ALDH1A1 (0.52) ALDH1A1GRM4MAPTNPSR1SLC7A5
SCHEMBL599716 0.74 EPHX2 (0.38) EPHX2KMT2ACA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528854-B1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES CARLSBERG AS (DK) 1994-12-28 — — EP disclosed
EP-0528854-A1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES. CARLSBERG AS (DK) 1993-03-03 — — EP disclosed
WO-1991016336-A1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES CARLSBERG A/S (DK) 1991-10-31 — — WO disclosed
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